* LIGAND DATABASE FILE (OPLS2005)
*
001      74    76    144    239     435
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02024   103.50853   -38.51105
    3     1 S   H    _H1_     3     1.02090    71.03459    66.92022
    4     1 S   H    _H2_     4     1.02095    42.37378  -141.59932
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08610   110.54789    58.81774
   26    24 S   HC   HB22    34     1.08575   109.89770   179.12800
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C13    36     1.83214    97.87947   161.86644
   34    33 S   HC   _H3_    37     1.10020   105.50705   -38.27654
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CT   _C10    38     1.53592   110.54272    79.98479
   39    38 S   HC   _H29    39     1.09536   112.90968    34.72691
   40    38 S   CM   _C4_    40     1.51206   103.96938   153.59417
   41    38 S   OH   _O19    73     1.42052   109.33612   -87.10450
   42    41 S   HO   _H40    74     0.97193   106.83535   -54.44748
   43    40 S   CT   _C14    41     1.54002   111.16193    -6.27298
   44    40 S   CM   _C5_    70     1.34130   123.22104   174.12497
   45    44 S   HC   _H21    71     1.08076   120.45905   179.79442
   46    44 S   HC   _H22    72     1.08031   120.42247    -0.13706
   47    43 S   CT   _C12    42     1.55182   113.40658  -129.43501
   48    47 S   HC   _H31    43     1.09680   111.15415   -34.33441
   49    33 S   CT   _C16    56     1.54613   115.72652  -161.85710
   50    49 S   OM   _O16    57     1.32009   110.45356    75.77187
   51    43 S   CT   _C17    66     1.54180   106.79222   104.55053
   52    51 S   HC   _H33    67     1.08340   109.10446   180.00000
   53    51 S   HC   _H34    68     1.08407   109.08879    60.03330
   54    51 S   HC   _H35    69     1.08352   109.09928   -59.96462
   55    47 S   CT   _C8_    44     1.53868   117.36026  -158.33265
   56    55 S   HC   _H25    45     1.09471   111.73564   -28.43004
   57    55 S   HC   _H26    46     1.09513   110.81194    91.62783
   58    55 S   CT   _C15    47     1.53115   104.32823  -146.79932
   59    58 S   CT   _C7_    48     1.52983   102.36628    40.83085
   60    59 S   HC   _H23    49     1.09547   112.58361  -157.94120
   61    59 S   HC   _H24    50     1.09718   110.51672    82.09903
   62    58 S   C    _C6_    58     1.50765   110.95907   -77.58480
   63    62 S   O    _O17    59     1.22131   125.06480    -6.89654
   64    58 S   CT   _C18    62     1.52472   112.47188   161.79682
   65    64 S   HC   _H36    63     1.08925   109.88442   -57.43511
   66    64 S   HC   _H37    64     1.08934   109.82777  -177.45901
   67    64 S   HC   _H38    65     1.08910   109.86977    62.58709
   68    47 S   CT   _C11    51     1.54410   106.78854    84.32023
   69    68 S   HC   _H30    52     1.09708   109.91851  -111.33327
   70    62 S   OH   _O18    60     1.35552   110.63575   173.20687
   71    70 S   HO   _H39    61     0.98172   111.91508   179.84677
   72    68 S   CT   _C9_    53     1.53549   107.38019     7.50734
   73    72 S   HC   _H27    54     1.09755   112.29636   138.70535
   74    72 S   HC   _H28    55     1.09757   107.13797  -105.76758
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  16   8   2   1   1  13   6  17   4   1  21   5   1   1  21  10
  12   5   6   2   1   1  16   6   5  14  14   6   5   8   3   5
   2   1   1   4   3   1   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    72    49    50    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    47    68    72    73    74    49    50    51    44    41    42  
   38    39    40    43    72    49    50    41  
   36    37  
   37  
    0  
   39    40    43    47    72    49    50    51    44    45    46    41    42  
   40    43    49    44    41    42  
   43    47    48    55    68    72    49    50    51    52    53    54    44    45    46    41    42  
   42    43    44    49  
    0  
   47    48    55    56    57    58    59    68    69    72    73    74    49    50    51    52    53    54    44    45    46  
   45    46    47    49    51  
   46  
    0  
   48    55    56    57    58    59    60    61    68    69    72    73    74    49    50    62    64    51    52    53    54  
   55    56    57    58    59    68    69    72    49    51  
   50    51    52    53    54    55    59    68    69    72    73    74  
   51    68    72    73    74  
   52    53    54    55    68    72  
   53    54  
   54  
    0  
   56    57    58    59    60    61    68    69    72    62    63    70    64    65    66    67  
   57    58    59    68    62    64  
   58    59    68    62    64  
   59    60    61    68    69    72    62    63    70    71    64    65    66    67  
   60    61    68    69    72    73    74    62    63    70    64    65    66    67  
   61    68    69    72    62    64  
   68    69    72    62    64  
   63    70    71    64    65    66    67    68  
   70    71    64  
   65    66    67    68    70  
   66    67  
   67  
    0  
   69    72    73    74  
   72    73    74  
   71  
    0  
   73    74  
   74  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   42   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   43   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   51   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.450000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    49   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.510
   38    41   320.000  1.410
   40    43   317.000  1.510
   40    44   549.000  1.340
   43    47   268.000  1.529
   43    49   268.000  1.529
   43    51   268.000  1.529
   47    48   340.000  1.090
   47    55   268.000  1.529
   47    68   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   268.000  1.529
   58    59   268.000  1.529
   58    62   317.000  1.522
   58    64   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    68   268.000  1.529
   68    69   340.000  1.090
   68    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    49   268.000  1.529
   49    50   570.000  1.307
   62    63   570.000  1.229
   62    70   450.000  1.364
   70    71   553.000  0.945
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   44    45   340.000  1.080
   44    46   340.000  1.080
   41    42   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    49    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    70.00000  112.02700
   33    38    41    50.00000  109.50000
   33    49    43    58.35000  112.70000
   33    49    72    58.35000  112.70000
   33    49    50    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    43    65.00000  117.92700
   38    40    44    70.00000  124.00000
   38    41    42    55.00000  108.50000
   40    38    39    35.00000  109.50000
   40    43    47    70.00000  112.02700
   40    43    49    70.00000  112.02700
   40    43    51    70.00000  112.02700
   40    44    45    35.00000  120.00000
   40    44    46    35.00000  120.00000
   43    47    48    37.50000  110.70000
   43    47    55    58.35000  112.70000
   43    47    68    58.35000  112.70000
   43    49    72    58.35000  112.70000
   43    49    50    50.00000  109.50000
   43    51    52    37.50000  110.70000
   43    51    53    37.50000  110.70000
   43    51    54    37.50000  110.70000
   47    55    56    37.50000  110.70000
   47    55    57    37.50000  110.70000
   47    55    58    58.35000  112.70000
   47    68    59    58.35000  112.70000
   47    68    69    37.50000  110.70000
   47    68    72    58.35000  112.70000
   55    47    48    37.50000  110.70000
   55    58    59    58.35000  112.70000
   55    58    62    63.00000  111.10000
   55    58    64    58.35000  112.70000
   57    55    56    33.00000  107.80000
   58    55    56    37.50000  110.70000
   58    55    57    37.50000  110.70000
   58    59    60    37.50000  110.70000
   58    59    61    37.50000  110.70000
   58    59    68    58.35000  112.70000
   58    62    63    80.00000  120.40000
   58    62    70    70.00000  108.00000
   58    64    65    37.50000  110.70000
   58    64    66    37.50000  110.70000
   58    64    67    37.50000  110.70000
   59    68    69    37.50000  110.70000
   59    68    72    58.35000  112.70000
   61    59    60    33.00000  107.80000
   68    47    48    37.50000  110.70000
   68    47    55    58.35000  112.70000
   68    59    60    37.50000  110.70000
   68    59    61    37.50000  110.70000
   68    72    73    37.50000  110.70000
   68    72    74    37.50000  110.70000
   68    72    49    58.35000  112.70000
   72    68    69    37.50000  110.70000
   72    49    50    50.00000  109.50000
   74    72    73    33.00000  107.80000
   49    33    34    37.50000  110.70000
   49    33    38    58.35000  112.70000
   49    43    47    58.35000  112.70000
   49    72    73    37.50000  110.70000
   49    72    74    37.50000  110.70000
   62    58    59    63.00000  111.10000
   62    70    71    35.00000  113.00000
   70    62    63   100.00000  123.32000
   64    58    59    58.35000  112.70000
   64    58    62    63.00000  111.10000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   51    43    47    58.35000  112.70000
   51    43    49    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   44    40    43    70.00000  124.00000
   46    44    45    35.00000  117.00000
   41    38    39    35.00000  109.50000
   41    38    40    90.00000  110.39200
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    49    43   0.44750  1.0 1.0
   29    33    49    43  -0.17800 -1.0 2.0
   29    33    49    43   0.20200  1.0 3.0
   29    33    49    72   0.44750  1.0 1.0
   29    33    49    72  -0.17800 -1.0 2.0
   29    33    49    72   0.20200  1.0 3.0
   29    33    49    50   0.56750  1.0 1.0
   29    33    49    50  -0.07550 -1.0 2.0
   29    33    49    50   0.20000  1.0 3.0
   33    38   -40    43   0.46850  1.0 1.0
   33    38   -40    43   0.08550 -1.0 2.0
   33    38   -40    43   0.09800  1.0 3.0
   33    38    40    44   0.09850  1.0 1.0
   33    38    40    44   0.15250 -1.0 2.0
   33    38    40    44  -0.50650  1.0 3.0
   33    38    41    42  -0.11600  1.0 1.0
   33    38    41    42  -0.09450 -1.0 2.0
   33    38    41    42   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.23400  1.0 3.0
   34    33    49    43   0.15000  1.0 3.0
   34    33    49    72   0.15000  1.0 3.0
   34    33    49    50   0.23400  1.0 3.0
   38    33   -49    43   0.56750  1.0 1.0
   38    33   -49    43  -0.07550 -1.0 2.0
   38    33   -49    43   0.20000  1.0 3.0
   38    33    49    72   0.56750  1.0 1.0
   38    33    49    72  -0.07550 -1.0 2.0
   38    33    49    72   0.20000  1.0 3.0
   38    33    49    50   0.62750  1.0 1.0
   38    33    49    50  -0.30950 -1.0 2.0
   38    33    49    50   0.27300  1.0 3.0
   38    40    43    47   0.46850  1.0 1.0
   38    40    43    47   0.08550 -1.0 2.0
   38    40    43    47   0.09800  1.0 3.0
   38    40   -43    49   0.46850  1.0 1.0
   38    40   -43    49   0.08550 -1.0 2.0
   38    40   -43    49   0.09800  1.0 3.0
   38    40    43    51   0.46850  1.0 1.0
   38    40    43    51   0.08550 -1.0 2.0
   38    40    43    51   0.09800  1.0 3.0
   38    40    44    45   7.00000 -1.0 2.0
   38    40    44    46   7.00000 -1.0 2.0
   39    38    40    43   0.34800  1.0 3.0
   39    38    40    44   0.00000  1.0 1.0
   39    38    41    42   0.19450  1.0 3.0
   40    38    41    42  -0.07800  1.0 1.0
   40    38    41    42  -0.21500 -1.0 2.0
   40    38    41    42  -0.03150  1.0 3.0
   40    43    47    48   0.15000  1.0 3.0
   40    43    47    55   0.34400  1.0 1.0
   40    43    47    55   0.09450 -1.0 2.0
   40    43    47    55   0.11100  1.0 3.0
   40    43    47    68   0.34400  1.0 1.0
   40    43    47    68   0.09450 -1.0 2.0
   40    43    47    68   0.11100  1.0 3.0
   40    43   -49    33   0.34400  1.0 1.0
   40    43   -49    33   0.09450 -1.0 2.0
   40    43   -49    33   0.11100  1.0 3.0
   40    43    49    72   0.34400  1.0 1.0
   40    43    49    72   0.09450 -1.0 2.0
   40    43    49    72   0.11100  1.0 3.0
   40    43    49    50   0.61850  1.0 1.0
   40    43    49    50  -0.22750 -1.0 2.0
   40    43    49    50   0.15300  1.0 3.0
   40    43    51    52   0.15000  1.0 3.0
   40    43    51    53   0.15000  1.0 3.0
   40    43    51    54   0.15000  1.0 3.0
   43    40    44    45   7.00000 -1.0 2.0
   43    40    44    46   7.00000 -1.0 2.0
   43    47    55    56   0.15000  1.0 3.0
   43    47    55    57   0.15000  1.0 3.0
   43    47    55    58   0.56750  1.0 1.0
   43    47    55    58  -0.07550 -1.0 2.0
   43    47    55    58   0.20000  1.0 3.0
   43    47    68    59   0.56750  1.0 1.0
   43    47    68    59  -0.07550 -1.0 2.0
   43    47    68    59   0.20000  1.0 3.0
   43    47    68    69   0.15000  1.0 3.0
   43    47   -68    72   0.56750  1.0 1.0
   43    47   -68    72  -0.07550 -1.0 2.0
   43    47   -68    72   0.20000  1.0 3.0
   47    43    49    33   0.56750  1.0 1.0
   47    43    49    33  -0.07550 -1.0 2.0
   47    43    49    33   0.20000  1.0 3.0
   47    43   -49    72   0.56750  1.0 1.0
   47    43   -49    72  -0.07550 -1.0 2.0
   47    43   -49    72   0.20000  1.0 3.0
   47    43    49    50   0.62750  1.0 1.0
   47    43    49    50  -0.30950 -1.0 2.0
   47    43    49    50   0.27300  1.0 3.0
   47    43    51    52   0.15000  1.0 3.0
   47    43    51    53   0.15000  1.0 3.0
   47    43    51    54   0.15000  1.0 3.0
   47    55   -58    59   0.56750  1.0 1.0
   47    55   -58    59  -0.07550 -1.0 2.0
   47    55   -58    59   0.20000  1.0 3.0
   47    55    58    62  -0.95700  1.0 1.0
   47    55    58    62  -0.18200 -1.0 2.0
   47    55    58    62   0.29450  1.0 3.0
   47    55    58    64   0.56750  1.0 1.0
   47    55    58    64  -0.07550 -1.0 2.0
   47    55    58    64   0.20000  1.0 3.0
   47    68    72    73   0.15000  1.0 3.0
   47    68    72    74   0.15000  1.0 3.0
   47    68   -72    49   0.56750  1.0 1.0
   47    68   -72    49  -0.07550 -1.0 2.0
   47    68   -72    49   0.20000  1.0 3.0
   48    47    55    56   0.15000  1.0 3.0
   48    47    55    57   0.15000  1.0 3.0
   48    47    55    58   0.15000  1.0 3.0
   48    47    68    59   0.15000  1.0 3.0
   48    47    68    69   0.15000  1.0 3.0
   48    47    68    72   0.15000  1.0 3.0
   55    47   -68    59   0.56750  1.0 1.0
   55    47   -68    59  -0.07550 -1.0 2.0
   55    47   -68    59   0.20000  1.0 3.0
   55    47    68    69   0.15000  1.0 3.0
   55    47    68    72   0.56750  1.0 1.0
   55    47    68    72  -0.07550 -1.0 2.0
   55    47    68    72   0.20000  1.0 3.0
   55    58    59    60   0.15000  1.0 3.0
   55    58    59    61   0.15000  1.0 3.0
   55    58   -59    68   0.56750  1.0 1.0
   55    58   -59    68  -0.07550 -1.0 2.0
   55    58   -59    68   0.20000  1.0 3.0
   55    58    62    63   0.30150 -1.0 2.0
   55    58    62    70   0.50000  1.0 1.0
   55    58    62    70   0.27300 -1.0 2.0
   55    58    62    70   0.22500  1.0 3.0
   55    58    64    65   0.15000  1.0 3.0
   55    58    64    66   0.15000  1.0 3.0
   55    58    64    67   0.15000  1.0 3.0
   56    55    58    59   0.15000  1.0 3.0
   56    55    58    62  -0.11250  1.0 3.0
   56    55    58    64   0.15000  1.0 3.0
   57    55    58    59   0.15000  1.0 3.0
   57    55    58    62  -0.11250  1.0 3.0
   57    55    58    64   0.15000  1.0 3.0
   58    59   -68    47   0.56750  1.0 1.0
   58    59   -68    47  -0.07550 -1.0 2.0
   58    59   -68    47   0.20000  1.0 3.0
   58    59    68    69   0.15000  1.0 3.0
   58    59    68    72   0.56750  1.0 1.0
   58    59    68    72  -0.07550 -1.0 2.0
   58    59    68    72   0.20000  1.0 3.0
   58    62    70    71   1.50000  1.0 1.0
   58    62    70    71   2.45000 -1.0 2.0
   59    58    62    63   0.30150 -1.0 2.0
   59    58    62    70   0.50000  1.0 1.0
   59    58    62    70   0.27300 -1.0 2.0
   59    58    62    70   0.22500  1.0 3.0
   59    58    64    65   0.15000  1.0 3.0
   59    58    64    66   0.15000  1.0 3.0
   59    58    64    67   0.15000  1.0 3.0
   59    68    72    73   0.15000  1.0 3.0
   59    68    72    74   0.15000  1.0 3.0
   59    68    72    49   0.56750  1.0 1.0
   59    68    72    49  -0.07550 -1.0 2.0
   59    68    72    49   0.20000  1.0 3.0
   60    59    68    47   0.15000  1.0 3.0
   60    59    68    69   0.15000  1.0 3.0
   60    59    68    72   0.15000  1.0 3.0
   61    59    68    47   0.15000  1.0 3.0
   61    59    68    69   0.15000  1.0 3.0
   61    59    68    72   0.15000  1.0 3.0
   68    47    55    56   0.15000  1.0 3.0
   68    47    55    57   0.15000  1.0 3.0
   68    47   -55    58   0.56750  1.0 1.0
   68    47   -55    58  -0.07550 -1.0 2.0
   68    47   -55    58   0.20000  1.0 3.0
   68    72    49    33   0.56750  1.0 1.0
   68    72    49    33  -0.07550 -1.0 2.0
   68    72    49    33   0.20000  1.0 3.0
   68    72   -49    43   0.56750  1.0 1.0
   68    72   -49    43  -0.07550 -1.0 2.0
   68    72   -49    43   0.20000  1.0 3.0
   68    72    49    50   0.62750  1.0 1.0
   68    72    49    50  -0.30950 -1.0 2.0
   68    72    49    50   0.27300  1.0 3.0
   69    68    72    73   0.15000  1.0 3.0
   69    68    72    74   0.15000  1.0 3.0
   69    68    72    49   0.15000  1.0 3.0
   73    72    49    33   0.15000  1.0 3.0
   73    72    49    43   0.15000  1.0 3.0
   73    72    49    50   0.23400  1.0 3.0
   74    72    49    33   0.15000  1.0 3.0
   74    72    49    43   0.15000  1.0 3.0
   74    72    49    50   0.23400  1.0 3.0
   49    33    38    39   0.15000  1.0 3.0
   49    33   -38    40   0.34400  1.0 1.0
   49    33   -38    40   0.09450 -1.0 2.0
   49    33   -38    40   0.11100  1.0 3.0
   49    33    38    41   0.86500  1.0 1.0
   49    33    38    41  -0.17500 -1.0 2.0
   49    33    38    41   0.20800  1.0 3.0
   49    43    47    48   0.15000  1.0 3.0
   49    43    47    55   0.56750  1.0 1.0
   49    43    47    55  -0.07550 -1.0 2.0
   49    43    47    55   0.20000  1.0 3.0
   49    43   -47    68   0.56750  1.0 1.0
   49    43   -47    68  -0.07550 -1.0 2.0
   49    43   -47    68   0.20000  1.0 3.0
   49    43    51    52   0.15000  1.0 3.0
   49    43    51    53   0.15000  1.0 3.0
   49    43    51    54   0.15000  1.0 3.0
   62    58    59    60  -0.11250  1.0 3.0
   62    58    59    61  -0.11250  1.0 3.0
   62    58    59    68  -0.95700  1.0 1.0
   62    58    59    68  -0.18200 -1.0 2.0
   62    58    59    68   0.29450  1.0 3.0
   62    58    64    65  -0.11250  1.0 3.0
   62    58    64    66  -0.11250  1.0 3.0
   62    58    64    67  -0.11250  1.0 3.0
   63    62    70    71   0.92200  1.0 1.0
   63    62    70    71   3.74100 -1.0 2.0
   64    58    59    60   0.15000  1.0 3.0
   64    58    59    61   0.15000  1.0 3.0
   64    58    59    68   0.56750  1.0 1.0
   64    58    59    68  -0.07550 -1.0 2.0
   64    58    59    68   0.20000  1.0 3.0
   64    58    62    63   0.30150 -1.0 2.0
   64    58    62    70   0.50000  1.0 1.0
   64    58    62    70   0.27300 -1.0 2.0
   64    58    62    70   0.22500  1.0 3.0
   51    43    47    48   0.15000  1.0 3.0
   51    43    47    55   0.56750  1.0 1.0
   51    43    47    55  -0.07550 -1.0 2.0
   51    43    47    55   0.20000  1.0 3.0
   51    43    47    68   0.56750  1.0 1.0
   51    43    47    68  -0.07550 -1.0 2.0
   51    43    47    68   0.20000  1.0 3.0
   51    43    49    33   0.56750  1.0 1.0
   51    43    49    33  -0.07550 -1.0 2.0
   51    43    49    33   0.20000  1.0 3.0
   51    43    49    72   0.56750  1.0 1.0
   51    43    49    72  -0.07550 -1.0 2.0
   51    43    49    72   0.20000  1.0 3.0
   51    43    49    50   0.62750  1.0 1.0
   51    43    49    50  -0.30950 -1.0 2.0
   51    43    49    50   0.27300  1.0 3.0
   44    40    43    47   0.09850  1.0 1.0
   44    40    43    47   0.15250 -1.0 2.0
   44    40    43    47  -0.50650  1.0 3.0
   44    40    43    49   0.09850  1.0 1.0
   44    40    43    49   0.15250 -1.0 2.0
   44    40    43    49  -0.50650  1.0 3.0
   44    40    43    51   0.09850  1.0 1.0
   44    40    43    51   0.15250 -1.0 2.0
   44    40    43    51  -0.50650  1.0 3.0
   41    38    40    43   0.18000  1.0 1.0
   41    38    40    43   0.16450 -1.0 2.0
   41    38    40    43   0.04450  1.0 3.0
   41    38    40    44   0.67800  1.0 1.0
   41    38    40    44   0.47050 -1.0 2.0
   41    38    40    44  -0.62500  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   38    43    40    44   1.10000 -1.0 2.0
   58    70    62    63  10.50000 -1.0 2.0
   45    46    44    40   1.10000 -1.0 2.0
END
